N-[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-2-methoxy-benzamide

Systemtic Name: N-[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-2-methoxy-benzamide Openeye Name: N-[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2-methoxy-benzamide CAS Name: N-[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-2-methoxybenzamide IUPAC Name: N-[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2-methoxybenzamide Traditional Name: N-[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]acetyl]-2-methoxy-benzamide Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC(=O)CSC2=NN(C(=N2)C3CC3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC(=O)CSC2=NN(C(=N2)C3CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H20N4O3S/c1-28-17-10-6-5-9-16(17)20(27)22-18(26)13-29-21-23-19(14-11-12-14)25(24-21)15-7-3-2-4-8-15/h2-10,14H,11-13H2,1H3,(H,22,26,27)